Monomers

Methyl acrylate

Identifiers

IUPAC name
methyl prop-2-enoate
InchI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InchI Key
BAPJBEWLBFYGME-UHFFFAOYSA-N
SMILES
COC(=O)C=C
Canonical SMILES
COC(=O)C=C
Isomeric SMILES
COC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.3454
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.3305    0.1375    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0929   -0.5488    0.0931 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1097    0.0930   -0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0745    1.3345   -0.3719 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3804   -0.6358   -0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5053   -0.0022   -0.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    1.2304    0.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8907   -0.2631    1.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9348   -0.1840   -0.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904   -1.6948   -0.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4406   -0.5309   -0.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5565    1.0643   -0.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers